SCHEMBL884467

SCHEMBL884467

O=C(c1c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c(=O)n1CC1CCCCC1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 4/20 0.40
CYP2C19 P33261 3/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 2/20 0.36
HTT P42858 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 4/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL886798 0.91 ENPP2 (0.35) SMN1; SMN2LMNAALDH1A1MAPK1HPGD
SCHEMBL885442 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP2C19AKR1C3AKR1C1
SCHEMBL885827 0.87 SMN1; SMN2 (0.38) SMN1; SMN2LMNACYP2C19AKR1C3AKR1C1
SCHEMBL884320 0.85 LMNA (0.39) SMN1; SMN2LMNACYP2C19AKR1C3AKR1C1
SCHEMBL2063146 0.85 BRD4 (0.38) ALDH1A1MAPK1
SCHEMBL884541 0.84 CYP2C19 (0.36) SMN1; SMN2LMNACYP2C19AKR1C3AKR1C1
SCHEMBL884393 0.84 USP5 (0.39) SMN1; SMN2LMNAALDH1A1HPGDHTT
SCHEMBL884456 0.84 MAPK8 (0.35) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL884614 0.83 LMNA (0.37) SMN1; SMN2LMNACYP2C19AKR1C3AKR1C1
SCHEMBL884369 0.83 USP5 (0.38) SMN1; SMN2LMNACYP2C19ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT SMN1; SMN2 4547/4885LMNA 824/4885CYP2C19 58/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.